1-[(2-chlorophenyl)methyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide

C24H20ClN5O3S — CID 47026683

About 1-[(2-chlorophenyl)methyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide

1-[(2-chlorophenyl)methyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 47026683) has the molecular formula C24H20ClN5O3S and a molecular weight of 493.98 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-[(2-chlorophenyl)methyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
• PubChem CID: 47026683
• Molecular Formula: C24H20ClN5O3S
• Molecular Weight: 493.98 g/mol
• Exact Mass: 493.10
• IUPAC Name: 1-[(2-chlorophenyl)methyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
• SMILES: Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)cc12
• InChI: InChI=1S/C24H20ClN5O3S/c1-14-18-10-20(34-23(18)30(28-14)13-16-6-2-3-8-19(16)25)22(32)27-17-7-4-5-15(9-17)12-29-21(31)11-26-24(29)33/h2-10H,11-13H2,1H3,(H,26,33)(H,27,32)
• InChIKey: GLMFROHRHJLJJM-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 96.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.98
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?

The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 47026683) is 1-[(2-chlorophenyl)methyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?

The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)cc12.

What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?

The InChIKey is GLMFROHRHJLJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O3S/c1-14-18-10-20(34-23(18)30(28-14)13-16-6-2-3-8-19(16)25)22(32)27-17-7-4-5-15(9-17)12-29-21(31)11-26-24(29)33/h2-10H,11-13H2,1H3,(H,26,33)(H,27,32).

What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?

1-[(2-chlorophenyl)methyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 493.98 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-chlorophenyl)methyl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 47026683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).